1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine

C14H19Br2NO — CID 103556161

IUPAC1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H19Br2NO/c1-17-13(9-14(18-2)6-3-7-14)11-8-10(15)4-5-12(11)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3
InChIKeyHQTFLYXPFBODKU-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.43
Rot. Bonds5

About 1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine

1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine (PubChem CID 103556161) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
PubChem CID103556161
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H19Br2NO/c1-17-13(9-14(18-2)6-3-7-14)11-8-10(15)4-5-12(11)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3
InChIKeyHQTFLYXPFBODKU-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556182
1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556380
1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556185
2-(1-methoxycyclobutyl)-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 103556166
1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
CID 103559180
2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 103556298
(2R)-2-(2,5-dibromophenyl)-2-(methylamino)ethanol
CID 131062673
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115862414
2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 103556168
1-(3-chlorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559094
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556454
4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol
CID 104925865

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine (CID 103556161) is 1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine is CNC(CC1(OC)CCC1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The InChIKey is HQTFLYXPFBODKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-17-13(9-14(18-2)6-3-7-14)11-8-10(15)4-5-12(11)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine has a molecular weight of 377.12 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103556161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).